N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

C25H22BrN3O3 — CID 41079592

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(Br)cc1
InChIInChI=1S/C25H22BrN3O3/c1-17(18-12-14-21(26)15-13-18)27-22(30)16-29-23(31)25(28-24(29)32,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,27,30)(H,28,32)/t17-/m1/s1
InChIKeyGGIJVEFXSTWOIQ-QGZVFWFLSA-N
MW492.37 g/mol
LogP4.12
Rot. Bonds6

About N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide

N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (PubChem CID 41079592) has the molecular formula C25H22BrN3O3 and a molecular weight of 492.37 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
PubChem CID41079592
Molecular FormulaC25H22BrN3O3
Molecular Weight492.37 g/mol
Exact Mass491.08
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(Br)cc1
InChIInChI=1S/C25H22BrN3O3/c1-17(18-12-14-21(26)15-13-18)27-22(30)16-29-23(31)25(28-24(29)32,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,27,30)(H,28,32)/t17-/m1/s1
InChIKeyGGIJVEFXSTWOIQ-QGZVFWFLSA-N
XLogP4.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2702070
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41101263
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7266427
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-phenylethyl)acetamide
CID 51139063
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 46606290
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 92509522
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7595825
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41138688
N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 4045289
2-(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 94813820
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2092207
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 92786787

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide (CID 41079592) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is C[C@@H](NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
The InChIKey is GGIJVEFXSTWOIQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H22BrN3O3/c1-17(18-12-14-21(26)15-13-18)27-22(30)16-29-23(31)25(28-24(29)32,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,27,30)(H,28,32)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide has a molecular weight of 492.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 41079592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).